blob: e96d5198398782046dc20e95f7dea09fa1871914 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
|
#!/bin/sh
cat > first_merge_check.stream << EOF
CrystFEL stream format 2.0
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
No unit cell from indexing.
Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg
astar = -0.0283891 +0.0149254 -0.0257273 nm^-1
bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1
cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1
I0 = 1.0 (arbitrary units)
photon_energy_eV = 2000.0
Reflections measured after indexing
h k l I phase sigma(I) counts fs/px ss/px
1 0 0 100.00 - 0.00 1 938.0 629.0
End of reflections
----- End chunk -----
----- Begin chunk -----
Image filename: dummy.h5
No unit cell from indexing.
Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg
astar = -0.0283891 +0.0149254 -0.0257273 nm^-1
bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1
cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1
I0 = 1.0 (arbitrary units)
photon_energy_eV = 2000.0
Reflections measured after indexing
h k l I phase sigma(I) counts fs/px ss/px
1 0 0 200.00 - 0.00 1 938.0 629.0
End of reflections
----- End chunk -----
EOF
src/process_hkl -i first_merge_check.stream -o first_merge_check.hkl
diff first_merge_check.hkl tests/first_merge_check.hkl
if [ $? -ne 0 ]; then
exit 1
fi
rm -f first_merge_check.stream first_merge_check.hkl
exit 0
|
